(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine

C11H19N3O2 — CID 97344802

IUPAC(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)CCN1CCOC[C@@H]1c1ncon1
InChIInChI=1S/C11H19N3O2/c1-9(2)3-4-14-5-6-15-7-10(14)11-12-8-16-13-11/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyXWTIHSKIUJUBLT-SNVBAGLBSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds4

About (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine

(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97344802) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97344802
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)CCN1CCOC[C@@H]1c1ncon1
InChIInChI=1S/C11H19N3O2/c1-9(2)3-4-14-5-6-15-7-10(14)11-12-8-16-13-11/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyXWTIHSKIUJUBLT-SNVBAGLBSA-N
XLogP1.49
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine (CID 97344802) is (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine is CC(C)CCN1CCOC[C@@H]1c1ncon1.
What is the InChIKey of (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is XWTIHSKIUJUBLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)3-4-14-5-6-15-7-10(14)11-12-8-16-13-11/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine?
(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 225.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97344802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).